5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine

C10H17N5O2 — CID 54967766

IUPAC5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine
SMILESO=[N+]([O-])c1[nH]ncc1NCCN1CCCCC1
InChIInChI=1S/C10H17N5O2/c16-15(17)10-9(8-12-13-10)11-4-7-14-5-2-1-3-6-14/h8,11H,1-7H2,(H,12,13)
InChIKeyVLWALSODCWLVCH-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.22
Rot. Bonds5

About 5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine

5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine (PubChem CID 54967766) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine
PubChem CID54967766
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine
SMILESO=[N+]([O-])c1[nH]ncc1NCCN1CCCCC1
InChIInChI=1S/C10H17N5O2/c16-15(17)10-9(8-12-13-10)11-4-7-14-5-2-1-3-6-14/h8,11H,1-7H2,(H,12,13)
InChIKeyVLWALSODCWLVCH-UHFFFAOYSA-N
XLogP1.22
TPSA87.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.22
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-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine
CID 114990616
N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 115001791
N',N'-dimethyl-N-(5-nitro-1H-pyrazol-4-yl)propane-1,3-diamine
CID 114988005
2-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 60658869
N-[2-(azepan-1-yl)ethyl]-3-bromo-5-nitropyridin-2-amine
CID 79534244
4-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 22048125
5-nitro-4-N,6-N-bis(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 11959076
ethyl 3-[(5-nitro-1H-pyrazol-4-yl)amino]propanoate
CID 114988498
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
4-nitro-3-(2-piperidin-1-ylethylamino)benzoic acid
CID 82769553
4-nitro-N-(2-pyrrolidin-1-ylethyl)-2,1,3-benzoxadiazol-7-amine
CID 60659961
4-chloro-5-fluoro-2-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 66077199

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine (CID 54967766) is 5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine is O=[N+]([O-])c1[nH]ncc1NCCN1CCCCC1.
What is the InChIKey of 5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine?
The InChIKey is VLWALSODCWLVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c16-15(17)10-9(8-12-13-10)11-4-7-14-5-2-1-3-6-14/h8,11H,1-7H2,(H,12,13).
What are the key properties of 5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine?
5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine has a molecular weight of 239.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 54967766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).