1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol

C12H19N3O — CID 163407531

IUPAC1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol
SMILESOc1cnn(C2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C12H19N3O/c16-12-7-13-15(9-12)11-3-5-14(6-4-11)8-10-1-2-10/h7,9-11,16H,1-6,8H2
InChIKeyCCTVAKQXZANOOL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds3

About 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol

1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol (PubChem CID 163407531) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol
PubChem CID163407531
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol
SMILESOc1cnn(C2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C12H19N3O/c16-12-7-13-15(9-12)11-3-5-14(6-4-11)8-10-1-2-10/h7,9-11,16H,1-6,8H2
InChIKeyCCTVAKQXZANOOL-UHFFFAOYSA-N
XLogP1.64
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol?
The IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol (CID 163407531) is 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol?
The canonical SMILES for 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol is Oc1cnn(C2CCN(CC3CC3)CC2)c1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol?
The InChIKey is CCTVAKQXZANOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12-7-13-15(9-12)11-3-5-14(6-4-11)8-10-1-2-10/h7,9-11,16H,1-6,8H2.
What are the key properties of 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol?
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol has a molecular weight of 221.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-ol is sourced from PubChem (CID 163407531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).