4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

C10H15N5O3 — CID 106163987

IUPAC4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C10H15N5O3/c11-6-7(4-1-2-4)14-15-8(6)10(18)13-3-5(16)9(12)17/h4-5,16H,1-3,11H2,(H2,12,17)(H,13,18)(H,14,15)
InChIKeyQXRPMBHRRHNYCE-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.55
Rot. Bonds5

About 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 106163987) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID106163987
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C10H15N5O3/c11-6-7(4-1-2-4)14-15-8(6)10(18)13-3-5(16)9(12)17/h4-5,16H,1-3,11H2,(H2,12,17)(H,13,18)(H,14,15)
InChIKeyQXRPMBHRRHNYCE-UHFFFAOYSA-N
XLogP-1.55
TPSA147.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
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CID 106113403
4-amino-5-cyclopropyl-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-3-carboxamide
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CID 62078792
4-amino-5-cyclopropyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 62077794
4-amino-5-cyclopropyl-N-(3-sulfamoylpropyl)-1H-pyrazole-3-carboxamide
CID 62077959
4-amino-5-cyclopropyl-N-(2-hydroxy-2-methylpentyl)-1H-pyrazole-3-carboxamide
CID 106289355
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CID 106333015
4-amino-5-cyclopropyl-N-hex-5-ynyl-1H-pyrazole-3-carboxamide
CID 106208189
4-amino-N-(2-cyclopentyloxyethyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 63826168
4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62077945

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 106163987) is 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is NC(=O)C(O)CNC(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is QXRPMBHRRHNYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c11-6-7(4-1-2-4)14-15-8(6)10(18)13-3-5(16)9(12)17/h4-5,16H,1-3,11H2,(H2,12,17)(H,13,18)(H,14,15).
What are the key properties of 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 253.26 g/mol, XLogP of -1.55, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106163987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).