N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide

C10H17N5O2 — CID 76983737

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)N(CCC(N)=NO)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N5O2/c1-7(2)15(4-3-9(11)14-17)10(16)8-5-12-13-6-8/h5-7,17H,3-4H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyAVQPPOABXTZXBR-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.40
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 76983737) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID76983737
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)N(CCC(N)=NO)C(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N5O2/c1-7(2)15(4-3-9(11)14-17)10(16)8-5-12-13-6-8/h5-7,17H,3-4H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyAVQPPOABXTZXBR-UHFFFAOYSA-N
XLogP0.40
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.40
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'}

Analyze N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 76983754
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 76937040
N-(3-amino-3-hydroxyiminopropyl)-4-ethyl-N-propan-2-ylbenzamide
CID 76911411
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107690844
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-ethyl-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 102811123
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-bromo-N-propan-2-ylthiophene-2-carboxamide
CID 54996374
N-(3-amino-3-hydroxyiminopropyl)-5-chloro-2-fluoro-N-propan-2-ylbenzamide
CID 76911446
N-(3-amino-3-hydroxyiminopropyl)-3-ethyl-N-propan-2-ylthiophene-2-carboxamide
CID 79975897
N-(3-amino-3-hydroxyiminopropyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 76911540
1-(3-amino-3-hydroxyiminopropyl)-3-(4-chlorophenyl)-1-propan-2-ylurea
CID 76911457
N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide
CID 62923169
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide (CID 76983737) is N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide is CC(C)N(CCC(N)=NO)C(=O)c1cn[nH]c1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is AVQPPOABXTZXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7(2)15(4-3-9(11)14-17)10(16)8-5-12-13-6-8/h5-7,17H,3-4H2,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 0.40, 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-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 76983737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).