N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine

C17H20ClN5O2 — CID 77095483

IUPACN-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine
SMILESCc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2cc(C3CC3)on2)no1
InChIInChI=1S/C17H20ClN5O2/c1-10-6-14(21-24-10)16-13(17(18)23(3)19-16)9-22(2)8-12-7-15(25-20-12)11-4-5-11/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyQVIYYEKHUXMVJT-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.53
Rot. Bonds6

About N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine

N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine (PubChem CID 77095483) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine
PubChem CID77095483
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine
SMILESCc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2cc(C3CC3)on2)no1
InChIInChI=1S/C17H20ClN5O2/c1-10-6-14(21-24-10)16-13(17(18)23(3)19-16)9-22(2)8-12-7-15(25-20-12)11-4-5-11/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyQVIYYEKHUXMVJT-UHFFFAOYSA-N
XLogP3.53
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine?
The IUPAC name of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine (CID 77095483) is N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine?
The canonical SMILES for N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine is Cc1cc(-c2nn(C)c(Cl)c2CN(C)Cc2cc(C3CC3)on2)no1.
What is the InChIKey of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine?
The InChIKey is QVIYYEKHUXMVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-10-6-14(21-24-10)16-13(17(18)23(3)19-16)9-22(2)8-12-7-15(25-20-12)11-4-5-11/h6-7,11H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine?
N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine has a molecular weight of 361.83 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 77095483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).