4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide

C16H20N4O — CID 63104123

IUPAC4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C16H20N4O/c1-11(13-7-8-13)20(10-12-5-3-2-4-6-12)16(21)15-14(17)9-18-19-15/h2-6,9,11,13H,7-8,10,17H2,1H3,(H,18,19)
InChIKeyIDDPYKPSZXTGLQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.43
Rot. Bonds5

About 4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide

4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63104123) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide
PubChem CID63104123
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C16H20N4O/c1-11(13-7-8-13)20(10-12-5-3-2-4-6-12)16(21)15-14(17)9-18-19-15/h2-6,9,11,13H,7-8,10,17H2,1H3,(H,18,19)
InChIKeyIDDPYKPSZXTGLQ-UHFFFAOYSA-N
XLogP2.43
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63101974
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
3-amino-N-benzyl-N-(1-cyclopropylethyl)propanamide;hydrochloride
CID 119265819
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-3-methylbutanamide
CID 65229552
2-(5-amino-2-pyridinyl)-N-benzyl-N-(1-cyclopropylethyl)acetamide;hydrochloride
CID 120617047
2-amino-N-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]acetamide
CID 60939851
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119679047
2-(aminomethyl)-N-benzyl-N-(1-cyclopropylethyl)butanamide
CID 65229551
4-amino-N-benzyl-N-(1-cyclopropylethyl)butanamide;hydrochloride
CID 119265829
3-amino-N-benzyl-N-(1-cyclopropylethyl)-3-phenylpropanamide
CID 119948804
N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
CID 6990705
2-(2-aminoethyl)-N-benzyl-N-(1-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 120617054

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide (CID 63104123) is 4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide is CC(C1CC1)N(Cc1ccccc1)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IDDPYKPSZXTGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(13-7-8-13)20(10-12-5-3-2-4-6-12)16(21)15-14(17)9-18-19-15/h2-6,9,11,13H,7-8,10,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide?
4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-(1-cyclopropylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63104123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).