2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine

C13H21N3 — CID 115031695

IUPAC2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
SMILESCn1ncc(C2CC2)c1CC1CCCCN1
InChIInChI=1S/C13H21N3/c1-16-13(8-11-4-2-3-7-14-11)12(9-15-16)10-5-6-10/h9-11,14H,2-8H2,1H3
InChIKeyLWDPDJQKEAYNEM-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.98
Rot. Bonds3

About 2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine

2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine (PubChem CID 115031695) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
PubChem CID115031695
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine
SMILESCn1ncc(C2CC2)c1CC1CCCCN1
InChIInChI=1S/C13H21N3/c1-16-13(8-11-4-2-3-7-14-11)12(9-15-16)10-5-6-10/h9-11,14H,2-8H2,1H3
InChIKeyLWDPDJQKEAYNEM-UHFFFAOYSA-N
XLogP1.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114662235
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CID 115053619
4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
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(4-cyclopropyl-1-methylpyrazol-5-yl)methanamine
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4-(3-chlorophenyl)-1-methyl-5-(pyrrolidin-2-ylmethyl)pyrazole
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2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
2-[2-(5-methyltriazol-1-yl)ethyl]piperidine
CID 82222439
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
2-[(4-cyclopentyl-1H-pyrazol-5-yl)methyl]piperidine
CID 115039853
2-(1,5-dimethylpyrazol-4-yl)azepane
CID 81147325
5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 115033672
1-(4-cycloheptyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105423541

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine?
The IUPAC name of 2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine (CID 115031695) is 2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine.
What is the SMILES notation for 2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine?
The canonical SMILES for 2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine is Cn1ncc(C2CC2)c1CC1CCCCN1.
What is the InChIKey of 2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine?
The InChIKey is LWDPDJQKEAYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-13(8-11-4-2-3-7-14-11)12(9-15-16)10-5-6-10/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine?
2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine has a molecular weight of 219.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]piperidine is sourced from PubChem (CID 115031695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).