N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C14H19ClN4 — CID 114927432

IUPACN-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccn(-c2cc(CNCC(C)C)c(Cl)cn2)n1
InChIInChI=1S/C14H19ClN4/c1-10(2)7-16-8-12-6-14(17-9-13(12)15)19-5-4-11(3)18-19/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyZKZQZROYDWKRFV-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.97
Rot. Bonds5

About N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 114927432) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID114927432
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccn(-c2cc(CNCC(C)C)c(Cl)cn2)n1
InChIInChI=1S/C14H19ClN4/c1-10(2)7-16-8-12-6-14(17-9-13(12)15)19-5-4-11(3)18-19/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyZKZQZROYDWKRFV-UHFFFAOYSA-N
XLogP2.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927439
N-[[5-chloro-2-(4-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927370
[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 114927427
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179
N-[[5-chloro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927246
5-chloro-N-ethyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925371
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114926217
N-[[5-chloro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 102967874
N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114924876
N-[[5-chloro-2-(3-ethylpyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927110
2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 63070580
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114926562

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 114927432) is N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1ccn(-c2cc(CNCC(C)C)c(Cl)cn2)n1.
What is the InChIKey of N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZKZQZROYDWKRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-10(2)7-16-8-12-6-14(17-9-13(12)15)19-5-4-11(3)18-19/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114927432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).