4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine

C9H15ClN4 — CID 70892352

IUPAC4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine
SMILESCN(c1c(Cl)cnn1C)[C@@H]1CCNC1
InChIInChI=1S/C9H15ClN4/c1-13(7-3-4-11-5-7)9-8(10)6-12-14(9)2/h6-7,11H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyHSPJBABCXLOPSF-SSDOTTSWSA-N
MW214.70 g/mol
LogP0.87
Rot. Bonds2

About 4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine

4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine (PubChem CID 70892352) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine
PubChem CID70892352
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine
SMILESCN(c1c(Cl)cnn1C)[C@@H]1CCNC1
InChIInChI=1S/C9H15ClN4/c1-13(7-3-4-11-5-7)9-8(10)6-12-14(9)2/h6-7,11H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyHSPJBABCXLOPSF-SSDOTTSWSA-N
XLogP0.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444942
N-(5-chlorothiophen-2-yl)-N-methylpyrrolidin-3-amine
CID 115118693
5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one
CID 114445095
2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71641175
4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 71640963
N,5-dimethyl-N-pyrrolidin-3-yl-1H-imidazol-2-amine
CID 106552565
N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride
CID 71641002
3-chloro-N-methyl-N-piperidin-3-ylpyridin-4-amine
CID 79841702
4-[(4-chloro-1-methylpyrazol-5-yl)-fluoromethyl]piperidine
CID 114667700
5-fluoro-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63301481
N-methyl-N-thiophen-2-ylpyrrolidin-3-amine
CID 115118676
4-bromo-2-(2-hydroxyethyl)-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444964

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine?
The IUPAC name of 4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine (CID 70892352) is 4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine.
What is the SMILES notation for 4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine?
The canonical SMILES for 4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine is CN(c1c(Cl)cnn1C)[C@@H]1CCNC1.
What is the InChIKey of 4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine?
The InChIKey is HSPJBABCXLOPSF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-13(7-3-4-11-5-7)9-8(10)6-12-14(9)2/h6-7,11H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine?
4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine has a molecular weight of 214.70 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,1-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrazol-5-amine is sourced from PubChem (CID 70892352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).