N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H22N4 — CID 62491581

IUPACN-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(-n2ccc(C3CC3)n2)c1
InChIInChI=1S/C16H22N4/c1-12(2)10-17-11-13-5-7-18-16(9-13)20-8-6-15(19-20)14-3-4-14/h5-9,12,14,17H,3-4,10-11H2,1-2H3
InChIKeyMBOGQKHUGYIUJE-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.89
Rot. Bonds6

About N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62491581) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62491581
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccnc(-n2ccc(C3CC3)n2)c1
InChIInChI=1S/C16H22N4/c1-12(2)10-17-11-13-5-7-18-16(9-13)20-8-6-15(19-20)14-3-4-14/h5-9,12,14,17H,3-4,10-11H2,1-2H3
InChIKeyMBOGQKHUGYIUJE-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62491581) is N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccnc(-n2ccc(C3CC3)n2)c1.
What is the InChIKey of N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is MBOGQKHUGYIUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(2)10-17-11-13-5-7-18-16(9-13)20-8-6-15(19-20)14-3-4-14/h5-9,12,14,17H,3-4,10-11H2,1-2H3.
What are the key properties of N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62491581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).