N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

C12H21ClN4 — CID 116653157

IUPACN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCc1nn(C)c(CN(C)C(CN)C2CC2)c1Cl
InChIInChI=1S/C12H21ClN4/c1-8-12(13)11(17(3)15-8)7-16(2)10(6-14)9-4-5-9/h9-10H,4-7,14H2,1-3H3
InChIKeyIPGVQWUOUCOSOX-UHFFFAOYSA-N
MW256.78 g/mol
LogP1.55
Rot. Bonds5

About N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116653157) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116653157
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC NameN-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCc1nn(C)c(CN(C)C(CN)C2CC2)c1Cl
InChIInChI=1S/C12H21ClN4/c1-8-12(13)11(17(3)15-8)7-16(2)10(6-14)9-4-5-9/h9-10H,4-7,14H2,1-3H3
InChIKeyIPGVQWUOUCOSOX-UHFFFAOYSA-N
XLogP1.55
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116653157) is N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is Cc1nn(C)c(CN(C)C(CN)C2CC2)c1Cl.
What is the InChIKey of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is IPGVQWUOUCOSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-8-12(13)11(17(3)15-8)7-16(2)10(6-14)9-4-5-9/h9-10H,4-7,14H2,1-3H3.
What are the key properties of N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 256.78 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116653157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).