4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide

C10H18N4O — CID 65355253

IUPAC4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)NC(=O)c1nn(C)cc1N
InChIInChI=1S/C10H18N4O/c1-4-7(5-2)12-10(15)9-8(11)6-14(3)13-9/h6-7H,4-5,11H2,1-3H3,(H,12,15)
InChIKeySJNOPJFLXVLVMQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.92
Rot. Bonds4

About 4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide

4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 65355253) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
PubChem CID65355253
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)NC(=O)c1nn(C)cc1N
InChIInChI=1S/C10H18N4O/c1-4-7(5-2)12-10(15)9-8(11)6-14(3)13-9/h6-7H,4-5,11H2,1-3H3,(H,12,15)
InChIKeySJNOPJFLXVLVMQ-UHFFFAOYSA-N
XLogP0.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355940
4-amino-N-hexan-2-yl-1-methylpyrazole-3-carboxamide
CID 65354482
4-amino-1-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 65353943
4-amino-N-(1-cyclohexylpropyl)-1-methylpyrazole-3-carboxamide
CID 65354049
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355744
4-amino-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 107863890
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
CID 65355029
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide (CID 65355253) is 4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)NC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is SJNOPJFLXVLVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-7(5-2)12-10(15)9-8(11)6-14(3)13-9/h6-7H,4-5,11H2,1-3H3,(H,12,15).
What are the key properties of 4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide?
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 65355253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).