trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

C19H27N5 — CID 170418444

IUPACtrans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(C(C3CC3)C3CC3)nc12
InChIInChI=1S/C19H27N5/c1-11-10-21-24-17(22-15-7-6-14(20)8-15)9-16(23-19(11)24)18(12-2-3-12)13-4-5-13/h9-10,12-15,18,22H,2-8,20H2,1H3/t14-,15-/m0/s1
InChIKeyOVNZFFBLWDETLK-GJZGRUSLSA-N
MW325.46 g/mol
LogP3.23
Rot. Bonds5

About trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 170418444) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID170418444
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Nametrans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(C(C3CC3)C3CC3)nc12
InChIInChI=1S/C19H27N5/c1-11-10-21-24-17(22-15-7-6-14(20)8-15)9-16(23-19(11)24)18(12-2-3-12)13-4-5-13/h9-10,12-15,18,22H,2-8,20H2,1H3/t14-,15-/m0/s1
InChIKeyOVNZFFBLWDETLK-GJZGRUSLSA-N
XLogP3.23
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 170418444) is trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(C(C3CC3)C3CC3)nc12.
What is the InChIKey of trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is OVNZFFBLWDETLK-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H27N5/c1-11-10-21-24-17(22-15-7-6-14(20)8-15)9-16(23-19(11)24)18(12-2-3-12)13-4-5-13/h9-10,12-15,18,22H,2-8,20H2,1H3/t14-,15-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 325.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 170418444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).