4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

C11H18N4O2 — CID 71046494

IUPAC4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C11H18N4O2/c1-17-8-4-2-7(3-5-8)14-11(16)10-9(12)6-13-15-10/h6-8H,2-5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyBXNGLFBPASLRLP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.68
Rot. Bonds3

About 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 71046494) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID71046494
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C11H18N4O2/c1-17-8-4-2-7(3-5-8)14-11(16)10-9(12)6-13-15-10/h6-8H,2-5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyBXNGLFBPASLRLP-UHFFFAOYSA-N
XLogP0.68
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 71046494) is 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2N)CC1.
What is the InChIKey of 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BXNGLFBPASLRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-8-4-2-7(3-5-8)14-11(16)10-9(12)6-13-15-10/h6-8H,2-5,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71046494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).