N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide

C14H21N5OS — CID 75380847

IUPACN,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide
SMILESCc1nc(CNc2ccn(CCCC(=O)N(C)C)n2)cs1
InChIInChI=1S/C14H21N5OS/c1-11-16-12(10-21-11)9-15-13-6-8-19(17-13)7-4-5-14(20)18(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,17)
InChIKeyURSGXZIAMOAZIF-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.13
Rot. Bonds7

About N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide

N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide (PubChem CID 75380847) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide
PubChem CID75380847
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide
SMILESCc1nc(CNc2ccn(CCCC(=O)N(C)C)n2)cs1
InChIInChI=1S/C14H21N5OS/c1-11-16-12(10-21-11)9-15-13-6-8-19(17-13)7-4-5-14(20)18(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,17)
InChIKeyURSGXZIAMOAZIF-UHFFFAOYSA-N
XLogP2.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-Methyl-1,3-thiazol-2-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828496
N-[4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53607494
1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
CID 71971698
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-(1H-pyrazol-1-yl)butanamide
CID 72882163
2-(1H-pyrazol-1-yl)-N-{[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]methyl}butanamide
CID 72939872
1-[(4-Methyl-1,3-thiazol-2-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45827569
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 53512598
1-Methyl-N-((2-methylthiazol-4-yl)methyl)-1H-pyrazol-3-amine
CID 60809807
1-[3-(2-Oxopyrrolidin-1-yl)propyl]-3-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]urea
CID 71907588
1-(3-methoxypropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
CID 71969682
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
CID 71971940
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1,3-thiazole-4-carboxamide
CID 71979214

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide?
The IUPAC name of N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide (CID 75380847) is N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide?
The canonical SMILES for N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide is Cc1nc(CNc2ccn(CCCC(=O)N(C)C)n2)cs1.
What is the InChIKey of N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide?
The InChIKey is URSGXZIAMOAZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-11-16-12(10-21-11)9-15-13-6-8-19(17-13)7-4-5-14(20)18(2)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,17).
What are the key properties of N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide?
N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide has a molecular weight of 307.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazol-1-yl]butanamide is sourced from PubChem (CID 75380847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).