2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine

C14H19N5 — CID 163751506

IUPAC2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine
SMILESCNc1ccc(Nc2nn3c(c2N)CCCC3)cc1
InChIInChI=1S/C14H19N5/c1-16-10-5-7-11(8-6-10)17-14-13(15)12-4-2-3-9-19(12)18-14/h5-8,16H,2-4,9,15H2,1H3,(H,17,18)
InChIKeyLQJJRFCFCCKXJO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.59
Rot. Bonds3

About 2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine

2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine (PubChem CID 163751506) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine
PubChem CID163751506
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine
SMILESCNc1ccc(Nc2nn3c(c2N)CCCC3)cc1
InChIInChI=1S/C14H19N5/c1-16-10-5-7-11(8-6-10)17-14-13(15)12-4-2-3-9-19(12)18-14/h5-8,16H,2-4,9,15H2,1H3,(H,17,18)
InChIKeyLQJJRFCFCCKXJO-UHFFFAOYSA-N
XLogP2.59
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[2-(4-propylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine
CID 118964191
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-amine
CID 177339311
4-N-(4-ethylphenyl)-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 22544263
4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine
CID 79917986
1-[4-(methylamino)phenyl]pyrrolidin-2-one
CID 54310012
3-bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 90898270
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
CID 122513645
2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrazol-3-amine
CID 54205634
6-(azepan-1-yl)-4-N-(4-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 22547783
6-(azepan-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19137874
3-tert-butyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-amine
CID 155691828

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine?
The IUPAC name of 2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine (CID 163751506) is 2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine is CNc1ccc(Nc2nn3c(c2N)CCCC3)cc1.
What is the InChIKey of 2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine?
The InChIKey is LQJJRFCFCCKXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-16-10-5-7-11(8-6-10)17-14-13(15)12-4-2-3-9-19(12)18-14/h5-8,16H,2-4,9,15H2,1H3,(H,17,18).
What are the key properties of 2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine?
2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(methylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2,3-diamine is sourced from PubChem (CID 163751506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).