5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine

C12H15ClN4 — CID 97119017

IUPAC5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
SMILESC[C@H](CNc1ccc(Cl)cn1)Cn1cccn1
InChIInChI=1S/C12H15ClN4/c1-10(9-17-6-2-5-16-17)7-14-12-4-3-11(13)8-15-12/h2-6,8,10H,7,9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyXBDCYWAAVZANSA-SNVBAGLBSA-N
MW250.73 g/mol
LogP2.68
Rot. Bonds5

About 5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine

5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine (PubChem CID 97119017) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
PubChem CID97119017
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine
SMILESC[C@H](CNc1ccc(Cl)cn1)Cn1cccn1
InChIInChI=1S/C12H15ClN4/c1-10(9-17-6-2-5-16-17)7-14-12-4-3-11(13)8-15-12/h2-6,8,10H,7,9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyXBDCYWAAVZANSA-SNVBAGLBSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methyl-3-pyrazol-1-ylpropyl)amino]pyrazine-2-carboxylic acid
CID 122053074
5-chloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 79035520
5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]amino]pyridine-2-carbonitrile
CID 97119021
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
2-methyl-N-propan-2-yl-3-pyrazol-1-ylpropan-1-amine
CID 62448113
5-chloro-N-(2-cyclopropylpropyl)pyridin-2-amine
CID 115658742
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 129320693
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111197250
5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine
CID 106117269
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
CID 55980923
1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111680479

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine (CID 97119017) is 5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine is C[C@H](CNc1ccc(Cl)cn1)Cn1cccn1.
What is the InChIKey of 5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine?
The InChIKey is XBDCYWAAVZANSA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-10(9-17-6-2-5-16-17)7-14-12-4-3-11(13)8-15-12/h2-6,8,10H,7,9H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine?
5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine has a molecular weight of 250.73 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]pyridin-2-amine is sourced from PubChem (CID 97119017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).