3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide

C10H13N5O — CID 61000051

IUPAC3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESO=C(CCn1ccnc1)NCc1cn[nH]c1
InChIInChI=1S/C10H13N5O/c16-10(1-3-15-4-2-11-8-15)12-5-9-6-13-14-7-9/h2,4,6-8H,1,3,5H2,(H,12,16)(H,13,14)
InChIKeyMGHUEWXYVZBMFC-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.31
Rot. Bonds5

About 3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide

3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 61000051) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID61000051
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESO=C(CCn1ccnc1)NCc1cn[nH]c1
InChIInChI=1S/C10H13N5O/c16-10(1-3-15-4-2-11-8-15)12-5-9-6-13-14-7-9/h2,4,6-8H,1,3,5H2,(H,12,16)(H,13,14)
InChIKeyMGHUEWXYVZBMFC-UHFFFAOYSA-N
XLogP0.31
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-(1H-pyrazol-4-yl)butanamide
CID 166195192
2-[(3-imidazol-1-ylpropanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381418
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
2-[(3-imidazol-1-ylpropanoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628813
3-(3-imidazol-1-ylpropanoylamino)-2,2-dimethylpropanoic acid
CID 115427121
N-[2-(4-aminophenoxy)ethyl]-3-imidazol-1-ylpropanamide
CID 63237758
N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
CID 66171307

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 61000051) is 3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide is O=C(CCn1ccnc1)NCc1cn[nH]c1.
What is the InChIKey of 3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is MGHUEWXYVZBMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-10(1-3-15-4-2-11-8-15)12-5-9-6-13-14-7-9/h2,4,6-8H,1,3,5H2,(H,12,16)(H,13,14).
What are the key properties of 3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide?
3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 219.25 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 61000051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).