N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C16H21ClN4 — CID 62491063

IUPACN-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(-n2ccc(C3CC3)n2)c(Cl)c1
InChIInChI=1S/C16H21ClN4/c1-16(2,3)19-10-11-8-13(17)15(18-9-11)21-7-6-14(20-21)12-4-5-12/h6-9,12,19H,4-5,10H2,1-3H3
InChIKeyBJPZBIOZYVFYGI-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.69
Rot. Bonds4

About N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62491063) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62491063
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC NameN-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(-n2ccc(C3CC3)n2)c(Cl)c1
InChIInChI=1S/C16H21ClN4/c1-16(2,3)19-10-11-8-13(17)15(18-9-11)21-7-6-14(20-21)12-4-5-12/h6-9,12,19H,4-5,10H2,1-3H3
InChIKeyBJPZBIOZYVFYGI-UHFFFAOYSA-N
XLogP3.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62491063) is N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(-n2ccc(C3CC3)n2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BJPZBIOZYVFYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-16(2,3)19-10-11-8-13(17)15(18-9-11)21-7-6-14(20-21)12-4-5-12/h6-9,12,19H,4-5,10H2,1-3H3.
What are the key properties of N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 304.82 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62491063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).