N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

C19H29N5O — CID 70717031

IUPACN-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCCc1cc(NCCC(=O)NC2CCCCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C19H29N5O/c1-4-15-12-17(24-19(22-15)13(2)14(3)23-24)20-11-10-18(25)21-16-8-6-5-7-9-16/h12,16,20H,4-11H2,1-3H3,(H,21,25)
InChIKeyVBJLMARSDQFUCK-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.16
Rot. Bonds6

About N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide

N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (PubChem CID 70717031) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
PubChem CID70717031
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
SMILESCCc1cc(NCCC(=O)NC2CCCCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C19H29N5O/c1-4-15-12-17(24-19(22-15)13(2)14(3)23-24)20-11-10-18(25)21-16-8-6-5-7-9-16/h12,16,20H,4-11H2,1-3H3,(H,21,25)
InChIKeyVBJLMARSDQFUCK-UHFFFAOYSA-N
XLogP3.16
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-cyclopropyl-4-[[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyrrolidin-2-one
CID 95880768
N-cyclohexyl-3-(2-ethylanilino)propanamide
CID 109014016
N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109014106
N-cyclopentyl-3-[(3,6-dimethylpyrazin-2-yl)amino]propanamide
CID 91648208
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
N-cyclohexyl-3-(2,6-diethylanilino)propanamide
CID 109014023
(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95875756
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
N-cyclopentyl-3-(2,6-diethylanilino)propanamide
CID 109013502
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide (CID 70717031) is N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is CCc1cc(NCCC(=O)NC2CCCCC2)n2nc(C)c(C)c2n1.
What is the InChIKey of N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
The InChIKey is VBJLMARSDQFUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-4-15-12-17(24-19(22-15)13(2)14(3)23-24)20-11-10-18(25)21-16-8-6-5-7-9-16/h12,16,20H,4-11H2,1-3H3,(H,21,25).
What are the key properties of N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide?
N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide has a molecular weight of 343.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide is sourced from PubChem (CID 70717031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).