N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

C15H21N5OS — CID 110257832

IUPACN,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1nc(CN2CCCC2c2[nH]ncc2C(=O)N(C)C)cs1
InChIInChI=1S/C15H21N5OS/c1-10-17-11(9-22-10)8-20-6-4-5-13(20)14-12(7-16-18-14)15(21)19(2)3/h7,9,13H,4-6,8H2,1-3H3,(H,16,18)
InChIKeyXQTJMOOKVKEOPC-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.21
Rot. Bonds4

About N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 110257832) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID110257832
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1nc(CN2CCCC2c2[nH]ncc2C(=O)N(C)C)cs1
InChIInChI=1S/C15H21N5OS/c1-10-17-11(9-22-10)8-20-6-4-5-13(20)14-12(7-16-18-14)15(21)19(2)3/h7,9,13H,4-6,8H2,1-3H3,(H,16,18)
InChIKeyXQTJMOOKVKEOPC-UHFFFAOYSA-N
XLogP2.21
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (CID 110257832) is N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is Cc1nc(CN2CCCC2c2[nH]ncc2C(=O)N(C)C)cs1.
What is the InChIKey of N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is XQTJMOOKVKEOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-17-11(9-22-10)8-20-6-4-5-13(20)14-12(7-16-18-14)15(21)19(2)3/h7,9,13H,4-6,8H2,1-3H3,(H,16,18).
What are the key properties of N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110257832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).