3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide

C17H25N5O — CID 72885985

IUPAC3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC2(Cn3ccnc3C)CC2)c(C)n1
InChIInChI=1S/C17H25N5O/c1-4-8-22-10-15(13(2)20-22)16(23)19-11-17(5-6-17)12-21-9-7-18-14(21)3/h7,9-10H,4-6,8,11-12H2,1-3H3,(H,19,23)
InChIKeyAGSLJQWHWJZVMS-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.32
Rot. Bonds7

About 3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide

3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 72885985) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
PubChem CID72885985
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC2(Cn3ccnc3C)CC2)c(C)n1
InChIInChI=1S/C17H25N5O/c1-4-8-22-10-15(13(2)20-22)16(23)19-11-17(5-6-17)12-21-9-7-18-14(21)3/h7,9-10H,4-6,8,11-12H2,1-3H3,(H,19,23)
InChIKeyAGSLJQWHWJZVMS-UHFFFAOYSA-N
XLogP2.32
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-[(1-ethylcyclohexyl)methyl]-3-methylpyrazole-4-carboxamide
CID 155970098
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 77092907
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]benzamide
CID 154904996
N-[[1-[(2-ethylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 118780248
3-methyl-1-propylpyrazole-4-carbonyl chloride
CID 15616731
N-methyl-2-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methylamino]pyridine-3-carboxamide
CID 135110526
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 74237954
1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide
CID 46989541
4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide
CID 122563164
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 72927235
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 97284622
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
CID 118769102

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide (CID 72885985) is 3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NCC2(Cn3ccnc3C)CC2)c(C)n1.
What is the InChIKey of 3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is AGSLJQWHWJZVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-4-8-22-10-15(13(2)20-22)16(23)19-11-17(5-6-17)12-21-9-7-18-14(21)3/h7,9-10H,4-6,8,11-12H2,1-3H3,(H,19,23).
What are the key properties of 3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide?
3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72885985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).