(5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid

C9H14N4O2 — CID 118020424

IUPAC(5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid
SMILESO=C(O)Nc1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C9H14N4O2/c14-9(15)11-8-5-7(12-13-8)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,14,15)(H2,11,12,13)
InChIKeyOLHBVKJEIJUVAA-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.97
Rot. Bonds2

About (5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid

(5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid (PubChem CID 118020424) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid.

Molecular Properties

Compound Name(5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid
PubChem CID118020424
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid
SMILESO=C(O)Nc1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C9H14N4O2/c14-9(15)11-8-5-7(12-13-8)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,14,15)(H2,11,12,13)
InChIKeyOLHBVKJEIJUVAA-UHFFFAOYSA-N
XLogP0.97
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid?
The IUPAC name of (5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid (CID 118020424) is (5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid.
What is the SMILES notation for (5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid?
The canonical SMILES for (5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid is O=C(O)Nc1cc(C2CCNCC2)[nH]n1.
What is the InChIKey of (5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid?
The InChIKey is OLHBVKJEIJUVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-9(15)11-8-5-7(12-13-8)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,14,15)(H2,11,12,13).
What are the key properties of (5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid?
(5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid has a molecular weight of 210.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid is sourced from PubChem (CID 118020424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).