N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide

C15H26N4O — CID 126435534

IUPACN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
SMILESCc1n[nH]c(C)c1[C@H](C)NC(=O)C(C)(C)N1CCCC1
InChIInChI=1S/C15H26N4O/c1-10(13-11(2)17-18-12(13)3)16-14(20)15(4,5)19-8-6-7-9-19/h10H,6-9H2,1-5H3,(H,16,20)(H,17,18)/t10-/m0/s1
InChIKeyFWEAXHOWDFIMDJ-JTQLQIEISA-N
MW278.40 g/mol
LogP2.08
Rot. Bonds4

About N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide

N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide (PubChem CID 126435534) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
PubChem CID126435534
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
SMILESCc1n[nH]c(C)c1[C@H](C)NC(=O)C(C)(C)N1CCCC1
InChIInChI=1S/C15H26N4O/c1-10(13-11(2)17-18-12(13)3)16-14(20)15(4,5)19-8-6-7-9-19/h10H,6-9H2,1-5H3,(H,16,20)(H,17,18)/t10-/m0/s1
InChIKeyFWEAXHOWDFIMDJ-JTQLQIEISA-N
XLogP2.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide (CID 126435534) is N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide is Cc1n[nH]c(C)c1[C@H](C)NC(=O)C(C)(C)N1CCCC1.
What is the InChIKey of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide?
The InChIKey is FWEAXHOWDFIMDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(13-11(2)17-18-12(13)3)16-14(20)15(4,5)19-8-6-7-9-19/h10H,6-9H2,1-5H3,(H,16,20)(H,17,18)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide?
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methyl-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 126435534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).