N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide

C10H17N5O3 — CID 119503128

IUPACN-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCCNC)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-3-4-7-9(15(17)18)8(14-13-7)10(16)12-6-5-11-2/h11H,3-6H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyJWYYTFGPRHMTNX-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.22
Rot. Bonds7

About N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide

N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 119503128) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID119503128
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCCNC)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-3-4-7-9(15(17)18)8(14-13-7)10(16)12-6-5-11-2/h11H,3-6H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyJWYYTFGPRHMTNX-UHFFFAOYSA-N
XLogP0.22
TPSA112.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-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

4-[(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 119352511
2-[(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 119350056
4-nitro-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119513392
5-methyl-4-nitro-N-octyl-1H-pyrazole-3-carboxamide
CID 23275449
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone
CID 119541339
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119655788
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
CID 95618087
N-(3-amino-4-methylpentyl)-N-methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119660238
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
CID 110003901
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120604876
(4-aminopiperidin-1-yl)-(4-nitro-5-propyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119375799
N-(2-aminoethyl)-1-(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 119481533

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide (CID 119503128) is N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCCNC)c1[N+](=O)[O-].
What is the InChIKey of N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is JWYYTFGPRHMTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-3-4-7-9(15(17)18)8(14-13-7)10(16)12-6-5-11-2/h11H,3-6H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119503128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).