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

C9H16N4O3 — CID 65359620

IUPAC4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide
SMILESCOCC(O)CNC(=O)c1c(N)cnn1C
InChIInChI=1S/C9H16N4O3/c1-13-8(7(10)4-12-13)9(15)11-3-6(14)5-16-2/h4,6,14H,3,5,10H2,1-2H3,(H,11,15)
InChIKeyRDPCATPEMWULHQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.26
Rot. Bonds5

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

4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide (PubChem CID 65359620) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide
PubChem CID65359620
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide
SMILESCOCC(O)CNC(=O)c1c(N)cnn1C
InChIInChI=1S/C9H16N4O3/c1-13-8(7(10)4-12-13)9(15)11-3-6(14)5-16-2/h4,6,14H,3,5,10H2,1-2H3,(H,11,15)
InChIKeyRDPCATPEMWULHQ-UHFFFAOYSA-N
XLogP-1.26
TPSA102.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2,3-dimethylbutyl)-1-methylpyrazole-5-carboxamide
CID 65359284
4-amino-N-(3-hydroxy-2-methylpropyl)-1-methylpyrazole-5-carboxamide
CID 65359621
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359812
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-(2,2-difluoropropyl)-1-methylpyrazole-5-carboxamide
CID 70115769
4-amino-N-(3-methoxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 65359471
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
4-amino-1-(2-fluoroethyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 132586745
4-amino-1-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrazole-5-carboxamide
CID 114114711
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
CID 65359556
5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide
CID 104600874

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide (CID 65359620) is 4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide is COCC(O)CNC(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is RDPCATPEMWULHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-13-8(7(10)4-12-13)9(15)11-3-6(14)5-16-2/h4,6,14H,3,5,10H2,1-2H3,(H,11,15).
What are the key properties of 4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-3-methoxypropyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65359620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).