N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide

C14H17N3O2 — CID 95749314

IUPACN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1cnn(CC2CC2)c1
InChIInChI=1S/C14H17N3O2/c18-14(6-5-13-2-1-7-19-13)16-12-8-15-17(10-12)9-11-3-4-11/h1-2,7-8,10-11H,3-6,9H2,(H,16,18)
InChIKeyBOOJKSLJLUYJSH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.46
Rot. Bonds6

About N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide (PubChem CID 95749314) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide
PubChem CID95749314
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)Nc1cnn(CC2CC2)c1
InChIInChI=1S/C14H17N3O2/c18-14(6-5-13-2-1-7-19-13)16-12-8-15-17(10-12)9-11-3-4-11/h1-2,7-8,10-11H,3-6,9H2,(H,16,18)
InChIKeyBOOJKSLJLUYJSH-UHFFFAOYSA-N
XLogP2.46
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422
3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
CID 90622084
4-(1,3-dioxoisoindol-2-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622248
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
N-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 90622617
N-[1-[2-[furan-2-ylmethyl(prop-2-ynyl)amino]-2-oxoethyl]pyrazol-4-yl]-3-(2-methoxyphenyl)propanamide
CID 26325836
N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide
CID 93452004
2-[5-[3-(furan-2-yl)propanoylamino]-2-pyridinyl]acetic acid
CID 107338969
2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 107273013
2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
CID 90622210

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide (CID 95749314) is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)Nc1cnn(CC2CC2)c1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide?
The InChIKey is BOOJKSLJLUYJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14(6-5-13-2-1-7-19-13)16-12-8-15-17(10-12)9-11-3-4-11/h1-2,7-8,10-11H,3-6,9H2,(H,16,18).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide?
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide has a molecular weight of 259.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 95749314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).