1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine

C12H18N4O2 — CID 155280191

IUPAC1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C12H18N4O2/c17-16(18)12-7-13-15(9-12)11-3-5-14(6-4-11)8-10-1-2-10/h7,9-11H,1-6,8H2
InChIKeyIXUCTOOYEQCOQM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.84
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine

1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine (PubChem CID 155280191) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine
PubChem CID155280191
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine
SMILESO=[N+]([O-])c1cnn(C2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C12H18N4O2/c17-16(18)12-7-13-15(9-12)11-3-5-14(6-4-11)8-10-1-2-10/h7,9-11H,1-6,8H2
InChIKeyIXUCTOOYEQCOQM-UHFFFAOYSA-N
XLogP1.84
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
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

4-(4-nitropyrazol-1-yl)-1-(2,3,3-trifluoropropyl)piperidine
CID 175357938
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol
CID 163407531
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-amine
CID 155280275
1-(cyclohexylmethyl)-3-fluoro-4-(4-nitropyrazol-1-yl)piperidine
CID 175587738
tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 56777238
2-methyl-1-[3-(4-nitropyrazol-1-yl)azetidin-1-yl]propan-2-ol
CID 142395517
1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
CID 155739865
tert-butyl 4-[4-(4-nitropyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 177197342
2-methyl-1-[4-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
CID 155740508
3-[(4-methoxyphenyl)methyl]-1-[2-methyl-4-[4-[[4-(4-nitropyrazol-1-yl)piperidin-1-yl]methyl]piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177362770
N-methyl-3-(4-nitropyrazol-1-yl)cycloheptan-1-amine
CID 121419975
tert-butyl 3-(4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate;ethane
CID 156721962

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine (CID 155280191) is 1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine is O=[N+]([O-])c1cnn(C2CCN(CC3CC3)CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine?
The InChIKey is IXUCTOOYEQCOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-16(18)12-7-13-15(9-12)11-3-5-14(6-4-11)8-10-1-2-10/h7,9-11H,1-6,8H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine?
1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine has a molecular weight of 250.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine is sourced from PubChem (CID 155280191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).