N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C16H21N7O2 — CID 134788474

IUPACN-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCn1ccc(C(=O)NCc2nnc3n2C(C(=O)NCC2CC2)CC3)n1
InChIInChI=1S/C16H21N7O2/c1-22-7-6-11(21-22)15(24)18-9-14-20-19-13-5-4-12(23(13)14)16(25)17-8-10-2-3-10/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,25)(H,18,24)
InChIKeyYEBPZHJXZWPGDA-UHFFFAOYSA-N
MW343.39 g/mol
LogP-0.04
Rot. Bonds6

About N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134788474) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134788474
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC NameN-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCn1ccc(C(=O)NCc2nnc3n2C(C(=O)NCC2CC2)CC3)n1
InChIInChI=1S/C16H21N7O2/c1-22-7-6-11(21-22)15(24)18-9-14-20-19-13-5-4-12(23(13)14)16(25)17-8-10-2-3-10/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,25)(H,18,24)
InChIKeyYEBPZHJXZWPGDA-UHFFFAOYSA-N
XLogP-0.04
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide with MolForge

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Related Compounds

N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103122655
1-methyl-N-(thiolan-3-ylmethyl)pyrazole-3-carboxamide
CID 146126965
2-(cyclopropylmethylamino)-1-(1-methylpyrazol-3-yl)ethanone
CID 103133024
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 97465240
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
CID 103120763
1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide
CID 146148732
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 91945727

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134788474) is N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is Cn1ccc(C(=O)NCc2nnc3n2C(C(=O)NCC2CC2)CC3)n1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is YEBPZHJXZWPGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-22-7-6-11(21-22)15(24)18-9-14-20-19-13-5-4-12(23(13)14)16(25)17-8-10-2-3-10/h6-7,10,12H,2-5,8-9H2,1H3,(H,17,25)(H,18,24).
What are the key properties of N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[[(1-methylpyrazole-3-carbonyl)amino]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134788474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).