N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide

C11H16N6O — CID 79524033

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCc1cnn(C)c1N)n1cccn1
InChIInChI=1S/C11H16N6O/c1-8(17-5-3-4-14-17)11(18)13-6-9-7-15-16(2)10(9)12/h3-5,7-8H,6,12H2,1-2H3,(H,13,18)
InChIKeyOBNVRUWIKXAPIE-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.08
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 79524033) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide
PubChem CID79524033
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCc1cnn(C)c1N)n1cccn1
InChIInChI=1S/C11H16N6O/c1-8(17-5-3-4-14-17)11(18)13-6-9-7-15-16(2)10(9)12/h3-5,7-8H,6,12H2,1-2H3,(H,13,18)
InChIKeyOBNVRUWIKXAPIE-UHFFFAOYSA-N
XLogP0.08
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-pyrazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 35714023
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-propan-2-ylurea
CID 79523783
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-phenylbutanamide
CID 79524022
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-ethylhexanamide
CID 79524373
3-[(5-amino-1-methylpyrazol-4-yl)methyl]-1-ethyl-1-methylurea
CID 79524208
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536899
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 79523767
N-[(5-amino-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 79524448
N-(3,3-diphenylpropyl)-2-pyrazol-1-ylpropanamide
CID 134060458
N-(2-amino-2-methylpropyl)-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119626027
(2R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 126431414
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide (CID 79524033) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)NCc1cnn(C)c1N)n1cccn1.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is OBNVRUWIKXAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-8(17-5-3-4-14-17)11(18)13-6-9-7-15-16(2)10(9)12/h3-5,7-8H,6,12H2,1-2H3,(H,13,18).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 248.29 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 79524033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).