N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C16H22N6O — CID 91628597

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cc(N3CCCC3)ncn2)n1
InChIInChI=1S/C16H22N6O/c1-12-9-13(2)22(20-12)8-5-17-16(23)14-10-15(19-11-18-14)21-6-3-4-7-21/h9-11H,3-8H2,1-2H3,(H,17,23)
InChIKeyDDAHZRGZYRKJHT-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 91628597) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID91628597
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cc(N3CCCC3)ncn2)n1
InChIInChI=1S/C16H22N6O/c1-12-9-13(2)22(20-12)8-5-17-16(23)14-10-15(19-11-18-14)21-6-3-4-7-21/h9-11H,3-8H2,1-2H3,(H,17,23)
InChIKeyDDAHZRGZYRKJHT-UHFFFAOYSA-N
XLogP1.32
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 91628597) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1cc(C)n(CCNC(=O)c2cc(N3CCCC3)ncn2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is DDAHZRGZYRKJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-9-13(2)22(20-12)8-5-17-16(23)14-10-15(19-11-18-14)21-6-3-4-7-21/h9-11H,3-8H2,1-2H3,(H,17,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91628597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).