1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide

C11H13N5O — CID 83127750

IUPAC1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide
SMILESC[C@H](N)c1ccc(-n2cc(C(N)=O)cn2)cn1
InChIInChI=1S/C11H13N5O/c1-7(12)10-3-2-9(5-14-10)16-6-8(4-15-16)11(13)17/h2-7H,12H2,1H3,(H2,13,17)/t7-/m0/s1
InChIKeyIJIHWMXXEKCTTQ-ZETCQYMHSA-N
MW231.26 g/mol
LogP0.39
Rot. Bonds3

About 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide

1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide (PubChem CID 83127750) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide
PubChem CID83127750
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide
SMILESC[C@H](N)c1ccc(-n2cc(C(N)=O)cn2)cn1
InChIInChI=1S/C11H13N5O/c1-7(12)10-3-2-9(5-14-10)16-6-8(4-15-16)11(13)17/h2-7H,12H2,1H3,(H2,13,17)/t7-/m0/s1
InChIKeyIJIHWMXXEKCTTQ-ZETCQYMHSA-N
XLogP0.39
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide (CID 83127750) is 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide is C[C@H](N)c1ccc(-n2cc(C(N)=O)cn2)cn1.
What is the InChIKey of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is IJIHWMXXEKCTTQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(12)10-3-2-9(5-14-10)16-6-8(4-15-16)11(13)17/h2-7H,12H2,1H3,(H2,13,17)/t7-/m0/s1.
What are the key properties of 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide?
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 83127750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).