N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine

C13H18N4 — CID 95732873

IUPACN-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine
SMILESCC(C)Cn1cc(CNc2ccccn2)cn1
InChIInChI=1S/C13H18N4/c1-11(2)9-17-10-12(8-16-17)7-15-13-5-3-4-6-14-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,14,15)
InChIKeyICBUOOFKQGKYQW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.55
Rot. Bonds5

About N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine

N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine (PubChem CID 95732873) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine
PubChem CID95732873
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine
SMILESCC(C)Cn1cc(CNc2ccccn2)cn1
InChIInChI=1S/C13H18N4/c1-11(2)9-17-10-12(8-16-17)7-15-13-5-3-4-6-14-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,14,15)
InChIKeyICBUOOFKQGKYQW-UHFFFAOYSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122167670
4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-propan-2-ylpyrazol-3-amine
CID 122167592
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine
CID 75434835
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
CID 122167209
N,N-dimethyl-4-[[[1-(2-methylpropyl)pyrazol-4-yl]methylamino]methyl]aniline;dihydrochloride
CID 126968221
5-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 97349620
1-(2-fluoroethyl)-4-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-5-amine
CID 122167597
1-(2-fluoroethyl)-5-methyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyrazol-4-amine;hydrochloride
CID 126963874
N-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyridin-2-amine
CID 86805580
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 102808181

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine (CID 95732873) is N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine is CC(C)Cn1cc(CNc2ccccn2)cn1.
What is the InChIKey of N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine?
The InChIKey is ICBUOOFKQGKYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(2)9-17-10-12(8-16-17)7-15-13-5-3-4-6-14-13/h3-6,8,10-11H,7,9H2,1-2H3,(H,14,15).
What are the key properties of N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine?
N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95732873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).