4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide

C12H15N5O2 — CID 63102158

IUPAC4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)Oc1ncccc1NC(=O)c1[nH]ncc1N
InChIInChI=1S/C12H15N5O2/c1-7(2)19-12-9(4-3-5-14-12)16-11(18)10-8(13)6-15-17-10/h3-7H,13H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJBSHLTAYCKVRME-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.43
Rot. Bonds4

About 4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 63102158) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID63102158
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)Oc1ncccc1NC(=O)c1[nH]ncc1N
InChIInChI=1S/C12H15N5O2/c1-7(2)19-12-9(4-3-5-14-12)16-11(18)10-8(13)6-15-17-10/h3-7H,13H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJBSHLTAYCKVRME-UHFFFAOYSA-N
XLogP1.43
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide (CID 63102158) is 4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide is CC(C)Oc1ncccc1NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JBSHLTAYCKVRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-7(2)19-12-9(4-3-5-14-12)16-11(18)10-8(13)6-15-17-10/h3-7H,13H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-propan-2-yloxy-3-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63102158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).