N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide

C12H17N5O — CID 131925541

IUPACN-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCCn1cncc1CNC(=O)CCc1cn[nH]c1
InChIInChI=1S/C12H17N5O/c1-2-17-9-13-7-11(17)8-14-12(18)4-3-10-5-15-16-6-10/h5-7,9H,2-4,8H2,1H3,(H,14,18)(H,15,16)
InChIKeyAMCKEDHBAIRFNM-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.88
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide

N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 131925541) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID131925541
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCCn1cncc1CNC(=O)CCc1cn[nH]c1
InChIInChI=1S/C12H17N5O/c1-2-17-9-13-7-11(17)8-14-12(18)4-3-10-5-15-16-6-10/h5-7,9H,2-4,8H2,1H3,(H,14,18)(H,15,16)
InChIKeyAMCKEDHBAIRFNM-UHFFFAOYSA-N
XLogP0.88
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide (CID 131925541) is N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide is CCn1cncc1CNC(=O)CCc1cn[nH]c1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is AMCKEDHBAIRFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-17-9-13-7-11(17)8-14-12(18)4-3-10-5-15-16-6-10/h5-7,9H,2-4,8H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 131925541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).