[5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid

C15H17N5O2 — CID 175426698

IUPAC[5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid
SMILESNc1n[nH]c(-c2ccc(NC(=O)O)nc2)c1C1=CCCCC1
InChIInChI=1S/C15H17N5O2/c16-14-12(9-4-2-1-3-5-9)13(19-20-14)10-6-7-11(17-8-10)18-15(21)22/h4,6-8H,1-3,5H2,(H,17,18)(H,21,22)(H3,16,19,20)
InChIKeyMKMUMTDZOMOWLM-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.10
Rot. Bonds3

About [5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid

[5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid (PubChem CID 175426698) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is [5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid
PubChem CID175426698
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name[5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid
SMILESNc1n[nH]c(-c2ccc(NC(=O)O)nc2)c1C1=CCCCC1
InChIInChI=1S/C15H17N5O2/c16-14-12(9-4-2-1-3-5-9)13(19-20-14)10-6-7-11(17-8-10)18-15(21)22/h4,6-8H,1-3,5H2,(H,17,18)(H,21,22)(H3,16,19,20)
InChIKeyMKMUMTDZOMOWLM-UHFFFAOYSA-N
XLogP3.10
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid?
The IUPAC name of [5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid (CID 175426698) is [5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid is Nc1n[nH]c(-c2ccc(NC(=O)O)nc2)c1C1=CCCCC1.
What is the InChIKey of [5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid?
The InChIKey is MKMUMTDZOMOWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c16-14-12(9-4-2-1-3-5-9)13(19-20-14)10-6-7-11(17-8-10)18-15(21)22/h4,6-8H,1-3,5H2,(H,17,18)(H,21,22)(H3,16,19,20).
What are the key properties of [5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid?
[5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid has a molecular weight of 299.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-amino-4-(cyclohexen-1-yl)-1H-pyrazol-5-yl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 175426698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).