N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide

C10H15N5O2 — CID 76983754

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESNC(CCN(C(=O)c1cn[nH]c1)C1CC1)=NO
InChIInChI=1S/C10H15N5O2/c11-9(14-17)3-4-15(8-1-2-8)10(16)7-5-12-13-6-7/h5-6,8,17H,1-4H2,(H2,11,14)(H,12,13)
InChIKeyZVFMGHMCLXCVIS-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.15
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide (PubChem CID 76983754) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
PubChem CID76983754
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESNC(CCN(C(=O)c1cn[nH]c1)C1CC1)=NO
InChIInChI=1S/C10H15N5O2/c11-9(14-17)3-4-15(8-1-2-8)10(16)7-5-12-13-6-7/h5-6,8,17H,1-4H2,(H2,11,14)(H,12,13)
InChIKeyZVFMGHMCLXCVIS-UHFFFAOYSA-N
XLogP0.15
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-[(1R,2S)-2-fluorocyclopropyl]-5-(methylideneamino)-1H-pyrazole-4-carboxamide
CID 137450558
(4-cyclopropylpiperazin-1-yl)(1H-pyrazol-4-yl)methanone
CID 60959056
N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607233
N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide
CID 167777721
N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 20785111
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
5-amino-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 43159392
N,N-diethyl-1H-pyrazole-4-carboxamide
CID 43582299
N-(cyclopropylmethyl)-1H-pyrazole-4-carboxamide
CID 43582361
N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 43582583
N-[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 43582657

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide (CID 76983754) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide is NC(CCN(C(=O)c1cn[nH]c1)C1CC1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZVFMGHMCLXCVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c11-9(14-17)3-4-15(8-1-2-8)10(16)7-5-12-13-6-7/h5-6,8,17H,1-4H2,(H2,11,14)(H,12,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 76983754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).