5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine

C10H11N5O2 — CID 114993640

IUPAC5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine
SMILESCC(Nc1cn[nH]c1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C10H11N5O2/c1-7(8-2-4-11-5-3-8)13-9-6-12-14-10(9)15(16)17/h2-7,13H,1H3,(H,12,14)
InChIKeyBTYAMPWOLAKGOC-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.89
Rot. Bonds4

About 5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine

5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine (PubChem CID 114993640) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine
PubChem CID114993640
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine
SMILESCC(Nc1cn[nH]c1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C10H11N5O2/c1-7(8-2-4-11-5-3-8)13-9-6-12-14-10(9)15(16)17/h2-7,13H,1H3,(H,12,14)
InChIKeyBTYAMPWOLAKGOC-UHFFFAOYSA-N
XLogP1.89
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-5-nitro-1H-pyrazol-4-amine
CID 54954319
N-butan-2-yl-5-nitro-1H-pyrazol-4-amine
CID 82238073
2-[(5-nitro-1H-pyrazol-4-yl)amino]propan-1-ol
CID 82238092
2,4-difluoro-5-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43725169
4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43396000
1-N,1-N-dimethyl-3-N-(5-nitro-1H-pyrazol-4-yl)butane-1,3-diamine
CID 114995608
3-methyl-5-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 62477893
2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43720075
4-chloro-5-fluoro-2-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 66076599
N-[1-(4-nitrophenyl)ethyl]-1H-indazol-7-amine
CID 43730801
2,6-dichloro-4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 106891428
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine (CID 114993640) is 5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine is CC(Nc1cn[nH]c1[N+](=O)[O-])c1ccncc1.
What is the InChIKey of 5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine?
The InChIKey is BTYAMPWOLAKGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7(8-2-4-11-5-3-8)13-9-6-12-14-10(9)15(16)17/h2-7,13H,1H3,(H,12,14).
What are the key properties of 5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine?
5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine has a molecular weight of 233.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(1-pyridin-4-ylethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 114993640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).