4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide

C9H16N4O2 — CID 65359621

IUPAC4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
SMILESCC(CO)CNC(=O)c1c(N)cnn1C
InChIInChI=1S/C9H16N4O2/c1-6(5-14)3-11-9(15)8-7(10)4-12-13(8)2/h4,6,14H,3,5,10H2,1-2H3,(H,11,15)
InChIKeyFAARFTYNXJIMDP-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.64
Rot. Bonds4

About 4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide

4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide (PubChem CID 65359621) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
PubChem CID65359621
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
SMILESCC(CO)CNC(=O)c1c(N)cnn1C
InChIInChI=1S/C9H16N4O2/c1-6(5-14)3-11-9(15)8-7(10)4-12-13(8)2/h4,6,14H,3,5,10H2,1-2H3,(H,11,15)
InChIKeyFAARFTYNXJIMDP-UHFFFAOYSA-N
XLogP-0.64
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
CID 65359284
4-amino-N-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
CID 70115769
4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide
CID 65359620
4-amino-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-5-carboxamide
CID 114114711
4-amino-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
CID 132586606
4-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-5-carboxamide
CID 114188442
4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355770
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
CID 65359556
4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861729
4-amino-1-methyl-N-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
CID 70115891
4-amino-N-[4-(dimethylamino)butan-2-yl]-1-methylpyrazole-5-carboxamide
CID 65359893

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide (CID 65359621) is 4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide is CC(CO)CNC(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is FAARFTYNXJIMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6(5-14)3-11-9(15)8-7(10)4-12-13(8)2/h4,6,14H,3,5,10H2,1-2H3,(H,11,15).
What are the key properties of 4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65359621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).