1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide

C14H16N4O — CID 115452566

IUPAC1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C14H16N4O/c15-9-14(5-6-14)13(19)17-11-3-1-2-10(8-11)12-4-7-16-18-12/h1-4,7-8H,5-6,9,15H2,(H,16,18)(H,17,19)
InChIKeyHJVADAGDDXQMKY-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.75
Rot. Bonds4

About 1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 115452566) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID115452566
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1
InChIInChI=1S/C14H16N4O/c15-9-14(5-6-14)13(19)17-11-3-1-2-10(8-11)12-4-7-16-18-12/h1-4,7-8H,5-6,9,15H2,(H,16,18)(H,17,19)
InChIKeyHJVADAGDDXQMKY-UHFFFAOYSA-N
XLogP1.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oxolane-2-carboxamide
CID 138013307
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565
1-(aminomethyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 80599055
1-(3-methyl-1,1-dioxothiolan-3-yl)-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 118764489
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 43711252
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 115452538
1-(aminomethyl)-N-(3-phenoxyphenyl)cyclopropane-1-carboxamide
CID 80588714
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
4-(carbamoylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]benzamide
CID 43073751
2-phenyl-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide
CID 43073756

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 115452566) is 1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide is NCC1(C(=O)Nc2cccc(-c3ccn[nH]3)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is HJVADAGDDXQMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-9-14(5-6-14)13(19)17-11-3-1-2-10(8-11)12-4-7-16-18-12/h1-4,7-8H,5-6,9,15H2,(H,16,18)(H,17,19).
What are the key properties of 1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).