N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine

C14H20N4 — CID 103009789

IUPACN-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
SMILESCNC(CCc1cnn(C)c1)Cc1cccnc1
InChIInChI=1S/C14H20N4/c1-15-14(8-12-4-3-7-16-9-12)6-5-13-10-17-18(2)11-13/h3-4,7,9-11,14-15H,5-6,8H2,1-2H3
InChIKeyXGSVHVJFHYJUHU-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.58
Rot. Bonds6

About N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine

N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine (PubChem CID 103009789) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
PubChem CID103009789
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
SMILESCNC(CCc1cnn(C)c1)Cc1cccnc1
InChIInChI=1S/C14H20N4/c1-15-14(8-12-4-3-7-16-9-12)6-5-13-10-17-18(2)11-13/h3-4,7,9-11,14-15H,5-6,8H2,1-2H3
InChIKeyXGSVHVJFHYJUHU-UHFFFAOYSA-N
XLogP1.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009371
4-methoxy-N-methyl-1-pyridin-3-ylbutan-2-amine
CID 115601894
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010345
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
1-(2-bromophenyl)-N-methyl-4-pyridin-3-ylbutan-2-amine
CID 105087512
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 62604364

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine (CID 103009789) is N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine is CNC(CCc1cnn(C)c1)Cc1cccnc1.
What is the InChIKey of N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine?
The InChIKey is XGSVHVJFHYJUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-15-14(8-12-4-3-7-16-9-12)6-5-13-10-17-18(2)11-13/h3-4,7,9-11,14-15H,5-6,8H2,1-2H3.
What are the key properties of N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine?
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 103009789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).