1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine

C15H27ClN4 — CID 114657117

IUPAC1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCNC(c1c(Cl)cnn1C)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H27ClN4/c1-17-14(13-12(16)11-18-20(13)4)15(19(2)3)9-7-5-6-8-10-15/h11,14,17H,5-10H2,1-4H3
InChIKeyLAGGNVDCCVBBHX-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.99
Rot. Bonds4

About 1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine

1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 114657117) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID114657117
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC Name1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCNC(c1c(Cl)cnn1C)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H27ClN4/c1-17-14(13-12(16)11-18-20(13)4)15(19(2)3)9-7-5-6-8-10-15/h11,14,17H,5-10H2,1-4H3
InChIKeyLAGGNVDCCVBBHX-UHFFFAOYSA-N
XLogP2.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657058
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046816
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243362
1-(4-chloro-1-methylpyrazol-5-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 114662031
1-[(4-chloro-1-propylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243209
N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 114688405
N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
CID 79080561
N,N-dimethyl-1-[methylamino-(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79069835
[(4-chloro-1-methylpyrazol-5-yl)-(1-ethylcyclopentyl)methyl]hydrazine
CID 105338879
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830598
2-[4-chloro-5-[methylamino-(1-methylcyclopentyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039148
1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114656983

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine (CID 114657117) is 1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine is CNC(c1c(Cl)cnn1C)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is LAGGNVDCCVBBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-17-14(13-12(16)11-18-20(13)4)15(19(2)3)9-7-5-6-8-10-15/h11,14,17H,5-10H2,1-4H3.
What are the key properties of 1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 298.86 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 114657117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).