N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine

C10H13N5S — CID 114697887

IUPACN-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
SMILESc1csc(-c2cc(NC3CCNC3)n[nH]2)n1
InChIInChI=1S/C10H13N5S/c1-2-11-6-7(1)13-9-5-8(14-15-9)10-12-3-4-16-10/h3-5,7,11H,1-2,6H2,(H2,13,14,15)
InChIKeyLAJYAOHYOUHEKS-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.31
Rot. Bonds3

About N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine

N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine (PubChem CID 114697887) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
PubChem CID114697887
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
SMILESc1csc(-c2cc(NC3CCNC3)n[nH]2)n1
InChIInChI=1S/C10H13N5S/c1-2-11-6-7(1)13-9-5-8(14-15-9)10-12-3-4-16-10/h3-5,7,11H,1-2,6H2,(H2,13,14,15)
InChIKeyLAJYAOHYOUHEKS-UHFFFAOYSA-N
XLogP1.31
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 107355298
5-naphthalen-2-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697920
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
5-(furan-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698002
5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697943
5-(2,5-dimethylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697982
2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
CID 177255972
5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697922
N-pyrrolidin-3-ylpyridin-2-amine
CID 19814840
N-ethyl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 64993636
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319
6-N-cyclobutyl-4-N-pyrrolidin-3-ylpyrimidine-4,6-diamine
CID 115264180

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine (CID 114697887) is N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine is c1csc(-c2cc(NC3CCNC3)n[nH]2)n1.
What is the InChIKey of N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine?
The InChIKey is LAJYAOHYOUHEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-2-11-6-7(1)13-9-5-8(14-15-9)10-12-3-4-16-10/h3-5,7,11H,1-2,6H2,(H2,13,14,15).
What are the key properties of N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine?
N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine has a molecular weight of 235.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114697887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).