1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine

C14H25BrN4 — CID 114657001

IUPAC1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)c2c(Br)cnn2C)CCCC1
InChIInChI=1S/C14H25BrN4/c1-4-19(5-2)14(8-6-7-9-14)13(16)12-11(15)10-17-18(12)3/h10,13H,4-9,16H2,1-3H3
InChIKeyVQVJRPNGGZZNFG-UHFFFAOYSA-N
MW329.29 g/mol
LogP2.84
Rot. Bonds5

About 1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine

1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine (PubChem CID 114657001) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is 1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine
PubChem CID114657001
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine
SMILESCCN(CC)C1(C(N)c2c(Br)cnn2C)CCCC1
InChIInChI=1S/C14H25BrN4/c1-4-19(5-2)14(8-6-7-9-14)13(16)12-11(15)10-17-18(12)3/h10,13H,4-9,16H2,1-3H3
InChIKeyVQVJRPNGGZZNFG-UHFFFAOYSA-N
XLogP2.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 105054014
1-[amino-(1-methylpyrazol-4-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069951
1-[amino-(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657041
N,N-diethyl-1-[hydrazinyl-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclopentan-1-amine
CID 105242695
[1-(diethylamino)cyclopentyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644530
1-[amino-(4-bromothiophen-3-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79601627
(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191459
1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79069650
1-[amino-(3-bromo-2,6-difluorophenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106942748
1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069803
1-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79070030
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The IUPAC name of 1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine (CID 114657001) is 1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine.
What is the SMILES notation for 1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The canonical SMILES for 1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine is CCN(CC)C1(C(N)c2c(Br)cnn2C)CCCC1.
What is the InChIKey of 1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine?
The InChIKey is VQVJRPNGGZZNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-4-19(5-2)14(8-6-7-9-14)13(16)12-11(15)10-17-18(12)3/h10,13H,4-9,16H2,1-3H3.
What are the key properties of 1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine?
1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine has a molecular weight of 329.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine is sourced from PubChem (CID 114657001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).