1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide

C10H16N4O — CID 99778581

IUPAC1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)c([C@@H]2CCCNC2)n1
InChIInChI=1S/C10H16N4O/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H2,11,15)/t7-/m1/s1
InChIKeyPVGLDQISVNLVSL-SSDOTTSWSA-N
MW208.26 g/mol
LogP-0.01
Rot. Bonds2

About 1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide

1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 99778581) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
PubChem CID99778581
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)c([C@@H]2CCCNC2)n1
InChIInChI=1S/C10H16N4O/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H2,11,15)/t7-/m1/s1
InChIKeyPVGLDQISVNLVSL-SSDOTTSWSA-N
XLogP-0.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide (CID 99778581) is 1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide is Cn1cc(C(N)=O)c([C@@H]2CCCNC2)n1.
What is the InChIKey of 1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is PVGLDQISVNLVSL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-6-8(10(11)15)9(13-14)7-3-2-4-12-5-7/h6-7,12H,2-5H2,1H3,(H2,11,15)/t7-/m1/s1.
What are the key properties of 1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide?
1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 208.26 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 99778581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).