N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine

C14H18N4 — CID 146109008

IUPACN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
SMILESCc1[nH]nc(CNc2cnc3c(c2)CCC3)c1C
InChIInChI=1S/C14H18N4/c1-9-10(2)17-18-14(9)8-15-12-6-11-4-3-5-13(11)16-7-12/h6-7,15H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyVAWDXCHFSADVEI-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.52
Rot. Bonds3

About N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine

N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine (PubChem CID 146109008) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
PubChem CID146109008
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
SMILESCc1[nH]nc(CNc2cnc3c(c2)CCC3)c1C
InChIInChI=1S/C14H18N4/c1-9-10(2)17-18-14(9)8-15-12-6-11-4-3-5-13(11)16-7-12/h6-7,15H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyVAWDXCHFSADVEI-UHFFFAOYSA-N
XLogP2.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The IUPAC name of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine (CID 146109008) is N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The canonical SMILES for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine is Cc1[nH]nc(CNc2cnc3c(c2)CCC3)c1C.
What is the InChIKey of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The InChIKey is VAWDXCHFSADVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9-10(2)17-18-14(9)8-15-12-6-11-4-3-5-13(11)16-7-12/h6-7,15H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine is sourced from PubChem (CID 146109008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).