N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

C20H22N6O2 — CID 171144600

IUPACN-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCCn1cc(C(=O)NC2Cc3c(C(=O)NCc4ccccc4)cnn3C2)cn1
InChIInChI=1S/C20H22N6O2/c1-2-25-12-15(10-22-25)19(27)24-16-8-18-17(11-23-26(18)13-16)20(28)21-9-14-6-4-3-5-7-14/h3-7,10-12,16H,2,8-9,13H2,1H3,(H,21,28)(H,24,27)
InChIKeyASHMTUXXDDLUMJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.38
Rot. Bonds6

About N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (PubChem CID 171144600) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
PubChem CID171144600
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCCn1cc(C(=O)NC2Cc3c(C(=O)NCc4ccccc4)cnn3C2)cn1
InChIInChI=1S/C20H22N6O2/c1-2-25-12-15(10-22-25)19(27)24-16-8-18-17(11-23-26(18)13-16)20(28)21-9-14-6-4-3-5-7-14/h3-7,10-12,16H,2,8-9,13H2,1H3,(H,21,28)(H,24,27)
InChIKeyASHMTUXXDDLUMJ-UHFFFAOYSA-N
XLogP1.38
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144581
N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144573
N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144578
N-benzyl-5-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171141571
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 71913212
1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-4-carboxamide
CID 27710840
N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
CID 62127943
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75498105
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (CID 171144600) is N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is CCn1cc(C(=O)NC2Cc3c(C(=O)NCc4ccccc4)cnn3C2)cn1.
What is the InChIKey of N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The InChIKey is ASHMTUXXDDLUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-2-25-12-15(10-22-25)19(27)24-16-8-18-17(11-23-26(18)13-16)20(28)21-9-14-6-4-3-5-7-14/h3-7,10-12,16H,2,8-9,13H2,1H3,(H,21,28)(H,24,27).
What are the key properties of N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is sourced from PubChem (CID 171144600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).