4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H26N4O — CID 63688273

IUPAC4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)CC2CC3CCC2C3)c1N
InChIInChI=1S/C16H26N4O/c1-9(2)14-13(17)15(19-18-14)16(21)20(3)8-12-7-10-4-5-11(12)6-10/h9-12H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyRLWJNIABNOBTIT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.62
Rot. Bonds4

About 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 63688273) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID63688273
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)CC2CC3CCC2C3)c1N
InChIInChI=1S/C16H26N4O/c1-9(2)14-13(17)15(19-18-14)16(21)20(3)8-12-7-10-4-5-11(12)6-10/h9-12H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyRLWJNIABNOBTIT-UHFFFAOYSA-N
XLogP2.62
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 63688273) is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(C)CC2CC3CCC2C3)c1N.
What is the InChIKey of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is RLWJNIABNOBTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-9(2)14-13(17)15(19-18-14)16(21)20(3)8-12-7-10-4-5-11(12)6-10/h9-12H,4-8,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63688273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).